MassBank Record: JP003193



 5,5'-DIVALERYL-2,2'-SPIROBIINDAN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003193
RECORD_TITLE: 5,5'-DIVALERYL-2,2'-SPIROBIINDAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 5,5'-DIVALERYL-2,2'-SPIROBIINDAN CH$COMPOUND_CLASS: N/A CH$FORMULA: C27H32O2 CH$EXACT_MASS: 388.24023 CH$SMILES: c(c41)cc(cc(CC(C4)(C2)Cc(c3)c(ccc3C(=O)CCCC)2)1)C(=O)CCCC CH$IUPAC: InChI=1S/C27H32O2/c1-3-5-7-25(28)19-9-11-21-15-27(17-23(21)13-19)16-22-12-10-20(14-24(22)18-27)26(29)8-6-4-2/h9-14H,3-8,15-18H2,1-2H3
AC$INSTRUMENT: HITACHI RMU-7 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-3219000000-da23e35199d6eece4a40 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 41 8.3 83 43 11 110 55 11.3 113 57 16.9 169 69 7.7 77 71 7.8 78 77 4.6 46 81 4.8 48 83 7.2 72 85 5.1 51 95 5.2 52 97 6.2 62 103 13.1 131 109 4.5 45 123 5.5 55 131 5.4 54 137 18.9 189 141 4.9 49 144.5 7.6 76 149 4.8 48 152 7.1 71 246 18.6 186 247 4.3 43 289 21.4 214 290 4.5 45 304 39.4 394 305 8.8 88 331 99.99 999 332 26.1 261 333 3.7 37 346 25.1 251 347 6.3 63 388 16.6 166 389 4.8 48 //